4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine

Systemtic Name: 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: [4-(2,4-dimethoxyphenyl)-2-ethylimino-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=CS1)C2=C(C=C(C=C2)OC)OC)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCN=C1N(C(=CS1)C2=C(C=C(C=C2)OC)OC)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H20N4O6S/c1-4-22-21-24(17(11-32-21)15-6-5-14(28-2)8-18(15)29-3)23-10-13-7-19-20(31-12-30-19)9-16(13)25(26)27/h5-11H,4,12H2,1-3H3